(2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran

C10H18O4 — CID 102151164

IUPAC(2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran
SMILESCO[C@H]1CC[C@@]2(OC)OCCC[C@@H]2O1
InChIInChI=1S/C10H18O4/c1-11-9-5-6-10(12-2)8(14-9)4-3-7-13-10/h8-9H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyDYAOJEOQCFCVEH-IVZWLZJFSA-N
MW202.25 g/mol
LogP1.29
Rot. Bonds2

About (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran

(2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran (PubChem CID 102151164) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran.

Molecular Properties

Compound Name(2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran
PubChem CID102151164
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran
SMILESCO[C@H]1CC[C@@]2(OC)OCCC[C@@H]2O1
InChIInChI=1S/C10H18O4/c1-11-9-5-6-10(12-2)8(14-9)4-3-7-13-10/h8-9H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyDYAOJEOQCFCVEH-IVZWLZJFSA-N
XLogP1.29
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran?
The IUPAC name of (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran (CID 102151164) is (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran.
What is the SMILES notation for (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran?
The canonical SMILES for (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran is CO[C@H]1CC[C@@]2(OC)OCCC[C@@H]2O1.
What is the InChIKey of (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran?
The InChIKey is DYAOJEOQCFCVEH-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H18O4/c1-11-9-5-6-10(12-2)8(14-9)4-3-7-13-10/h8-9H,3-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran?
(2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran has a molecular weight of 202.25 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aS)-2,4a-dimethoxy-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran is sourced from PubChem (CID 102151164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).